2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol

C27H23N3O — CID 57396913

IUPAC2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol
SMILESCN(C)c1ccc(-c2ccc(-c3ccc(-c4nc5c(O)cccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H23N3O/c1-30(2)23-16-14-21(15-17-23)19-8-6-18(7-9-19)20-10-12-22(13-11-20)27-28-24-4-3-5-25(31)26(24)29-27/h3-17,31H,1-2H3,(H,28,29)
InChIKeyNHMCISZXESUZDG-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.34
Rot. Bonds4

About 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol

2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol (PubChem CID 57396913) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol
PubChem CID57396913
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol
SMILESCN(C)c1ccc(-c2ccc(-c3ccc(-c4nc5c(O)cccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H23N3O/c1-30(2)23-16-14-21(15-17-23)19-8-6-18(7-9-19)20-10-12-22(13-11-20)27-28-24-4-3-5-25(31)26(24)29-27/h3-17,31H,1-2H3,(H,28,29)
InChIKeyNHMCISZXESUZDG-UHFFFAOYSA-N
XLogP6.34
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol?
The IUPAC name of 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol (CID 57396913) is 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol.
What is the SMILES notation for 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol?
The canonical SMILES for 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol is CN(C)c1ccc(-c2ccc(-c3ccc(-c4nc5c(O)cccc5[nH]4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol?
The InChIKey is NHMCISZXESUZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O/c1-30(2)23-16-14-21(15-17-23)19-8-6-18(7-9-19)20-10-12-22(13-11-20)27-28-24-4-3-5-25(31)26(24)29-27/h3-17,31H,1-2H3,(H,28,29).
What are the key properties of 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol?
2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol has a molecular weight of 405.50 g/mol, XLogP of 6.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(dimethylamino)phenyl]phenyl]phenyl]-1H-benzimidazol-4-ol is sourced from PubChem (CID 57396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).